N'-(2-aminoethyl)-N'-(3-methylidene-4H-pyridin-2-yl)ethane-1,2-diamine

C10H18N4 — CID 91180155

IUPACN'-(2-aminoethyl)-N'-(3-methylidene-4H-pyridin-2-yl)ethane-1,2-diamine
SMILESC=C1CC=CN=C1N(CCN)CCN
InChIInChI=1S/C10H18N4/c1-9-3-2-6-13-10(9)14(7-4-11)8-5-12/h2,6H,1,3-5,7-8,11-12H2
InChIKeyWZFGHZAYKRMXSZ-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.08
Rot. Bonds4

About N'-(2-aminoethyl)-N'-(3-methylidene-4H-pyridin-2-yl)ethane-1,2-diamine

N'-(2-aminoethyl)-N'-(3-methylidene-4H-pyridin-2-yl)ethane-1,2-diamine (PubChem CID 91180155) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is N'-(2-aminoethyl)-N'-(3-methylidene-4H-pyridin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-aminoethyl)-N'-(3-methylidene-4H-pyridin-2-yl)ethane-1,2-diamine
PubChem CID91180155
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC NameN'-(2-aminoethyl)-N'-(3-methylidene-4H-pyridin-2-yl)ethane-1,2-diamine
SMILESC=C1CC=CN=C1N(CCN)CCN
InChIInChI=1S/C10H18N4/c1-9-3-2-6-13-10(9)14(7-4-11)8-5-12/h2,6H,1,3-5,7-8,11-12H2
InChIKeyWZFGHZAYKRMXSZ-UHFFFAOYSA-N
XLogP0.08
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(2-aminoethyl)-N'-(3-methylidene-4H-pyridin-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-(2-aminoethyl)-N'-(3-methylidene-4H-pyridin-2-yl)ethane-1,2-diamine (CID 91180155) is N'-(2-aminoethyl)-N'-(3-methylidene-4H-pyridin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-aminoethyl)-N'-(3-methylidene-4H-pyridin-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-aminoethyl)-N'-(3-methylidene-4H-pyridin-2-yl)ethane-1,2-diamine is C=C1CC=CN=C1N(CCN)CCN.
What is the InChIKey of N'-(2-aminoethyl)-N'-(3-methylidene-4H-pyridin-2-yl)ethane-1,2-diamine?
The InChIKey is WZFGHZAYKRMXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-9-3-2-6-13-10(9)14(7-4-11)8-5-12/h2,6H,1,3-5,7-8,11-12H2.
What are the key properties of N'-(2-aminoethyl)-N'-(3-methylidene-4H-pyridin-2-yl)ethane-1,2-diamine?
N'-(2-aminoethyl)-N'-(3-methylidene-4H-pyridin-2-yl)ethane-1,2-diamine has a molecular weight of 194.28 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)-N'-(3-methylidene-4H-pyridin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 91180155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).